N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline

C18H26N4O — CID 124622494

IUPACN-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
SMILESCCn1cc([C@@H]2CN(CCN(C)c3ccccc3)CCO2)cn1
InChIInChI=1S/C18H26N4O/c1-3-22-14-16(13-19-22)18-15-21(11-12-23-18)10-9-20(2)17-7-5-4-6-8-17/h4-8,13-14,18H,3,9-12,15H2,1-2H3/t18-/m0/s1
InChIKeyCSTKXQUTELNUBH-SFHVURJKSA-N
MW314.43 g/mol
LogP2.41
Rot. Bonds6

About N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline

N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline (PubChem CID 124622494) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline.

Molecular Properties

Compound NameN-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
PubChem CID124622494
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
SMILESCCn1cc([C@@H]2CN(CCN(C)c3ccccc3)CCO2)cn1
InChIInChI=1S/C18H26N4O/c1-3-22-14-16(13-19-22)18-15-21(11-12-23-18)10-9-20(2)17-7-5-4-6-8-17/h4-8,13-14,18H,3,9-12,15H2,1-2H3/t18-/m0/s1
InChIKeyCSTKXQUTELNUBH-SFHVURJKSA-N
XLogP2.41
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
CID 125142733
2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 124622493
2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 126804830
(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 124622469
(2R)-2-(6-benzyl-2-pyridinyl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 124974858
(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827504
(2S)-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)morpholine
CID 124622467
N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]aniline
CID 84587099
2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole
CID 126810576
1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone
CID 125138569
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline?
The IUPAC name of N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline (CID 124622494) is N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline.
What is the SMILES notation for N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline?
The canonical SMILES for N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline is CCn1cc([C@@H]2CN(CCN(C)c3ccccc3)CCO2)cn1.
What is the InChIKey of N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline?
The InChIKey is CSTKXQUTELNUBH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-22-14-16(13-19-22)18-15-21(11-12-23-18)10-9-20(2)17-7-5-4-6-8-17/h4-8,13-14,18H,3,9-12,15H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline?
N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline has a molecular weight of 314.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline is sourced from PubChem (CID 124622494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).